(2S)-1-[(2S)-5-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-5-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-5-amino-2-[(1-carboxy-3-phenyl-propyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-5-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-5-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-5-amino-2-[(1-carboxy-3-phenyl-propyl)amino]pentanoyl]proline Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H29N3O5/c21-12-4-8-15(18(24)23-13-5-9-17(23)20(27)28)22-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,22H,4-5,8-13,21H2,(H,25,26)(H,27,28)/t15-,16?,17-/m0/s1